4-(Trifluoromethyl)benzophenone

Base Information

• Chemical Name: 4-(Trifluoromethyl)benzophenone
• CAS No.: 728-86-9
• Molecular Formula: C14H9F3O
• Molecular Weight: 250.22
• Hs Code.: 29147000
• European Community (EC) Number: 211-974-3
• NSC Number: 88328
• DSSTox Substance ID: DTXSID10223122
• Nikkaji Number: J193.099K
• Wikidata: Q72511706
• Mol file: 728-86-9.mol

Synonyms:4-(Trifluoromethyl)benzophenone;728-86-9;4-Trifluoromethylbenzophenone;phenyl-[4-(trifluoromethyl)phenyl]methanone;phenyl(4-(trifluoromethyl)phenyl)methanone;Phenyl[4-(trifluoromethyl)phenyl]methanone;Methanone, phenyl[4-(trifluoromethyl)phenyl]-;p-Trifluoromethylbenzophenone;11|A-HSD1-IN-7;EINECS 211-974-3;MFCD00000400;Methanone, phenyl(4-(trifluoromethyl)phenyl)-;NSC88328;p-TRIFLUOROMETHYL BENZOPHENONE;4'-Trifluoromethylbenzophenone;SCHEMBL1781341;OHTYZZYAMUVKQS-UHFFFAOYSA-;DTXSID10223122;Benzophenone, 4-(trifluoromethyl)-;NSC 88328;NSC-88328;AKOS004908827;HY-W106057;PS-7477;(4-Trifluoromethylphenyl) phenyl ketone;phenyl(4-(trifluoromethyl)phenyl)-methanone;CS-0159838;FT-0616918;Phenyl[4-(trifluoromethyl)phenyl]methanone #;4-(TRIFLUOROMETHYL)BENZOPHENONE, 98%;A837654;AB-131/40897209

Chemical Property of 4-(Trifluoromethyl)benzophenone

Chemical Property:

• Appearance/Colour: off-white to beige crystalline solid
• Vapor Pressure: 0.00065mmHg at 25°C
• Melting Point: 114-116 °C(lit.)
• Refractive Index: 1.519
• Boiling Point: 309.2 °C at 760 mmHg
• Flash Point: 153 °C
• PSA: 17.07000
• Density: 1.244 g/cm³
• LogP: 3.93640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.06054939
• Heavy Atom Count: 18
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethyl)benzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)benzophenone

There total 203 articles about 4-(Trifluoromethyl)benzophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1-benzyl-4-(trifluoromethyl)benzene (34239-04-8) → phenyl[4-(trifluoromethyl)phenyl]methanone (728-86-9)

Guidance literature:

With Oxone; potassium bromide; In nitromethane; at 20 ℃; for 24h;

DOI:10.1021/ol300853z

Reference yield: 99.0%

4-trifluoromethylbenzoic acid (455-24-3) + phenylboronic acid (98-80-6) → phenyl[4-(trifluoromethyl)phenyl]methanone (728-86-9)

Guidance literature:

With dimethyl dicarbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 6h;

DOI:10.1246/bcsj.75.1333

Reference yield: 98.0%

tert-butyl phenyl(4-(trifluoromethyl)benzoyl) carbamate + phenylboronic acid (98-80-6) → phenyl[4-(trifluoromethyl)phenyl]methanone (728-86-9)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium carbonate; In tetrahydrofuran; at 60 ℃; for 15h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.7b00749

upstream raw materials:

4-(trichloromethyl)-benzophenone

phenyl(4-(trifluoromethyl)phenyl)methanol

4-trifluoromethyl-phenyl acetyl chloride

benzene

Downstream raw materials:

(2-Bromo-thiazol-5-yl)-phenyl-(4-trifluoromethyl-phenyl)-methanol

Phenyl-pyrimidin-5-yl-(4-trifluoromethyl-phenyl)-methanol

(4-tert-butylphenyl)<4-(trifluoromethyl)phenyl>phenylmethanol

1-benzyl-4-(trifluoromethyl)benzene

Refernces

• 1、 ?akir, Sinem,Karabiyik, Hande,Kavukcu, Serdar Batikan,Rethinam, Senthil,Türkmen, Hayati. "C(acyl)-C(sp2) and C(sp2)-C(sp2) Suzuki-Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes". . p. 37684 - 37699. Retrieved 2021/12/09.
• 2、 Hu, Yingying,Shao, Yu,Zhang, Shuwei,Yuan, Yuan,Sun, Zheng,Yuan, Yu,Jia, Xiaodong. "AIBN initiated functionalization of the benzylic sp3 C[sbnd]H and C[sbnd]C bonds in the presence of dioxygen". supporting information. . Retrieved 2021/02/01.